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ZINC Item

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48628931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3R)-tetrahydrofuran-3-yl]methanol (R)-3,4-dihydro-2H-1,5-benzodiox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	2.9	-7.91	1	4	0	48	250.294	2	↓ MOL2 SDF SMILES Flexibase

48628933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3R)-tetrahydrofuran-3-yl]methanol (S)-3,4-dihydro-2H-1,5-benzodiox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	2.67	-8.5	1	4	0	48	250.294	2	↓ MOL2 SDF SMILES Flexibase

48628935

Analogs

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Popular Name: (R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-tetrahydrofuran-3-yl]methanol (R)-3,4-dihydro-2H-1,5-benzodiox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	2.76	-8.49	1	4	0	48	250.294	2	↓ MOL2 SDF SMILES Flexibase

48628937

Analogs

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Popular Name: (S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-tetrahydrofuran-3-yl]methanol (S)-3,4-dihydro-2H-1,5-benzodiox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	3	-7.68	1	4	0	48	250.294	2	↓ MOL2 SDF SMILES Flexibase

48629285

Analogs

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Popular Name: (R)-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(8-bromo-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	3.47	-6.25	1	4	0	48	329.19	2	↓ MOL2 SDF SMILES Flexibase

48629287

Analogs

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Popular Name: (S)-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(8-bromo-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	3	-7.11	1	4	0	48	329.19	2	↓ MOL2 SDF SMILES Flexibase

48629289

Analogs

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Popular Name: (R)-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(8-bromo-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	3.1	-7.32	1	4	0	48	329.19	2	↓ MOL2 SDF SMILES Flexibase

48629291

Analogs

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Popular Name: (S)-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(8-bromo-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	3.59	-6.18	1	4	0	48	329.19	2	↓ MOL2 SDF SMILES Flexibase

48629307

Analogs

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Popular Name: (R)-(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(8-chloro-3,4-dihydro-2H-1,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	3.4	-6.27	1	4	0	48	284.739	2	↓ MOL2 SDF SMILES Flexibase

48629309

Analogs

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Popular Name: (S)-(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(8-chloro-3,4-dihydro-2H-1,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	2.92	-7.19	1	4	0	48	284.739	2	↓ MOL2 SDF SMILES Flexibase

48629310

Analogs

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Popular Name: (R)-(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(8-chloro-3,4-dihydro-2H-1,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	3.01	-7.31	1	4	0	48	284.739	2	↓ MOL2 SDF SMILES Flexibase

48629312

Analogs

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Popular Name: (S)-(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(8-chloro-3,4-dihydro-2H-1,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	3.52	-6.21	1	4	0	48	284.739	2	↓ MOL2 SDF SMILES Flexibase

48629642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 7-[(R)-chloro-[(3R)-tetrahydrofu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	6.08	-8.87	0	3	0	28	268.74	2	↓ MOL2 SDF SMILES Flexibase

48629644

Analogs

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Popular Name: 7-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 7-[(S)-chloro-[(3R)-tetrahydrofu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	6.08	-7.14	0	3	0	28	268.74	2	↓ MOL2 SDF SMILES Flexibase

48629645

Analogs

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Popular Name: 7-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 7-[(R)-chloro-[(3S)-tetrahydrofu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	6.04	-6.54	0	3	0	28	268.74	2	↓ MOL2 SDF SMILES Flexibase

48629647

Analogs

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Popular Name: 7-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 7-[(S)-chloro-[(3S)-tetrahydrofu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	6.08	-8.29	0	3	0	28	268.74	2	↓ MOL2 SDF SMILES Flexibase

48629849

Analogs

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Popular Name: 8-bromo-7-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-bromo-7-[(R)-chloro-[(3R)-tetr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	6.58	-5.82	0	3	0	28	347.636	2	↓ MOL2 SDF SMILES Flexibase

48629850

Analogs

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Popular Name: 8-bromo-7-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-bromo-7-[(S)-chloro-[(3R)-tetr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	6.58	-5.14	0	3	0	28	347.636	2	↓ MOL2 SDF SMILES Flexibase

48629851

Analogs

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Popular Name: 8-bromo-7-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-bromo-7-[(R)-chloro-[(3S)-tetr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	6.69	-5.52	0	3	0	28	347.636	2	↓ MOL2 SDF SMILES Flexibase

48629852

Analogs

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Popular Name: 8-bromo-7-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-bromo-7-[(S)-chloro-[(3S)-tetr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	6.63	-5.77	0	3	0	28	347.636	2	↓ MOL2 SDF SMILES Flexibase

48629861

Analogs

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Popular Name: 8-chloro-7-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-chloro-7-[(R)-chloro-[(3R)-tet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	6.51	-5.82	0	3	0	28	303.185	2	↓ MOL2 SDF SMILES Flexibase

48629862

Analogs

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Popular Name: 8-chloro-7-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-chloro-7-[(S)-chloro-[(3R)-tet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	6.51	-5.22	0	3	0	28	303.185	2	↓ MOL2 SDF SMILES Flexibase

48629863

Analogs

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Popular Name: 8-chloro-7-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-chloro-7-[(R)-chloro-[(3S)-tet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	6.63	-5.57	0	3	0	28	303.185	2	↓ MOL2 SDF SMILES Flexibase

48629864

Analogs

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Popular Name: 8-chloro-7-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-chloro-7-[(S)-chloro-[(3S)-tet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	6.56	-5.74	0	3	0	28	303.185	2	↓ MOL2 SDF SMILES Flexibase

48630044

Analogs

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Popular Name: 7-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 7-[(R)-bromo-[(3R)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	6.14	-8.41	0	3	0	28	313.191	2	↓ MOL2 SDF SMILES Flexibase

48630045

Analogs

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Popular Name: 7-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 7-[(S)-bromo-[(3R)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	6.14	-6.96	0	3	0	28	313.191	2	↓ MOL2 SDF SMILES Flexibase

48630046

Analogs

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Popular Name: 7-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 7-[(R)-bromo-[(3S)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	6.09	-6.31	0	3	0	28	313.191	2	↓ MOL2 SDF SMILES Flexibase

48630047

Analogs

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Popular Name: 7-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 7-[(S)-bromo-[(3S)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	6.15	-8.02	0	3	0	28	313.191	2	↓ MOL2 SDF SMILES Flexibase

48630220

Analogs

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Popular Name: 8-bromo-7-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-bromo-7-[(R)-bromo-[(3R)-tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	6.66	-5.58	0	3	0	28	392.087	2	↓ MOL2 SDF SMILES Flexibase

48630221

Analogs

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Popular Name: 8-bromo-7-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-bromo-7-[(S)-bromo-[(3R)-tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	6.65	-4.95	0	3	0	28	392.087	2	↓ MOL2 SDF SMILES Flexibase

48630222

Analogs

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Popular Name: 8-bromo-7-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-bromo-7-[(R)-bromo-[(3S)-tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	6.76	-5.34	0	3	0	28	392.087	2	↓ MOL2 SDF SMILES Flexibase

48630223

Analogs

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Popular Name: 8-bromo-7-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine 8-bromo-7-[(S)-bromo-[(3S)-tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	6.68	-5.48	0	3	0	28	392.087	2	↓ MOL2 SDF SMILES Flexibase

48630232

Analogs

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Popular Name: 7-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-8-chloro-3,4-dihydro-2H-1,5-benzodioxepine 7-[(R)-bromo-[(3R)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	6.59	-5.62	0	3	0	28	347.636	2	↓ MOL2 SDF SMILES Flexibase

48630233

Analogs

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Popular Name: 7-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-8-chloro-3,4-dihydro-2H-1,5-benzodioxepine 7-[(S)-bromo-[(3R)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	6.58	-4.97	0	3	0	28	347.636	2	↓ MOL2 SDF SMILES Flexibase

48630234

Analogs

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Popular Name: 7-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-8-chloro-3,4-dihydro-2H-1,5-benzodioxepine 7-[(R)-bromo-[(3S)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	6.68	-5.4	0	3	0	28	347.636	2	↓ MOL2 SDF SMILES Flexibase

48630235

Analogs

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Popular Name: 7-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-8-chloro-3,4-dihydro-2H-1,5-benzodioxepine 7-[(S)-bromo-[(3S)-tetrahydrofur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	6.62	-5.58	0	3	0	28	347.636	2	↓ MOL2 SDF SMILES Flexibase

68857423

Analogs

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Popular Name: (R)-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(9-chloro-3,4-dihydro-2H-1,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	3.45	-7.39	1	4	0	48	284.739	2	↓ MOL2 SDF SMILES Flexibase

68857426

Analogs

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Popular Name: (S)-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(9-chloro-3,4-dihydro-2H-1,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	3.21	-7.75	1	4	0	48	284.739	2	↓ MOL2 SDF SMILES Flexibase

68857431

Analogs

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Popular Name: (R)-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(9-chloro-3,4-dihydro-2H-1,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	3.3	-7.85	1	4	0	48	284.739	2	↓ MOL2 SDF SMILES Flexibase

68857435

Analogs

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Popular Name: (S)-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(9-chloro-3,4-dihydro-2H-1,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	3.54	-7.69	1	4	0	48	284.739	2	↓ MOL2 SDF SMILES Flexibase

68869931

Analogs

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Popular Name: (R)-(9-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(9-bromo-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	3.56	-7.24	1	4	0	48	329.19	2	↓ MOL2 SDF SMILES Flexibase

68869934

Analogs

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Popular Name: (S)-(9-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(9-bromo-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	3.32	-7.56	1	4	0	48	329.19	2	↓ MOL2 SDF SMILES Flexibase

68869938

Analogs

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Popular Name: (R)-(9-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(9-bromo-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	3.42	-7.73	1	4	0	48	329.19	2	↓ MOL2 SDF SMILES Flexibase

68869941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(9-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(9-bromo-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	3.65	-7.53	1	4	0	48	329.19	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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